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2,2-Bis(pyridin-2-yl)-1,3-diazinane.

ABSTRACT: In the title compound, C14H16N4, the six-membered hexa-hydro-pyrimidine ring adopts a chair conformation. In the crystal, one of the two pyrimidine N atoms engages in N-H?N hydrogen bonding with one of the pyridine N atoms, generating a helical chain running along the c axis. The helical pitch is the length of the c axis.

SUBMITTER: Haddad SF

PROVIDER: S-EPMC3629617 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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2,2-Bis(pyridin-2-yl)-1,3-diazinane.

Haddad Salim F SF Warad Ismail I Jodeh Shehdeh S Ben Hadda Taibi T

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

In the title compound, C14H16N4, the six-membered hexa-hydro-pyrimidine ring adopts a chair conformation. In the crystal, one of the two pyrimidine N atoms engages in N-H⋯N hydrogen bonding with one of the pyridine N atoms, generating a helical chain running along the c axis. The helical pitch is the length of the c axis. ...[more]

PMID: 23634104

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5,5-Dimethyl-2,2-bis-(pyridin-2-yl)-1,3-diazinane.

Project description:In the mol-ecule of the title compound, C(16)H(20)N(4), the 1,3-diazinane ring adopts a chair conformation and the dihedral angle formed by the pyridine rings is 78.64?(8)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?N hydrogen bond, forming an S(6) ring motif. In the crystal, centrosymmetrically related mol-ecules are linked into dimers by pairs of N-H?N hydrogen bonds, generating rings of R(2) (2)(10) graph-set motif.

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2,2'-{[2-(Pyridin-2-yl)-1,3-diazinane-1,3-diyl]bis(methylene)}diphenol.

Project description:The title compound, C(23)H(25)N(3)O(2), was obtained as an inter-mediary in the preparation of non-symmetric tertiary diamines. The mol-ecular structure presents T-shaped spatial form, in which the pyrimidine ring exhibits a chair conformation. The pyridyl ring is almost perpendicular to the phenyl rings with dihedral angles of 80.17?(8) and 76.03?(2)°. The phenol and amine groups are involved in two strong intra-molecular O-H?N inter-actions. In the crystal, the mol-ecules are stacked along [010]; however, no inter-molecular inter-actions are observed.

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Project description:The title compound, C(18)H(20)Br(2)N(2)O(2), the heterocyclic ring adopts a chair conformation. The benzene rings make dihedral angles of 86.84?(10) and 60.73?(10)° with the mean plane of the heterocyclic ring. The dihedral angle between the two benzene rings is 79.77?(10)°. The mol-ecular structure is stabilized by two intra-molecular hydrogen bonds between the phenolic hy-droxy groups and N atoms with graph-set motif S(6). The crystal structure is stabilized by weak C-H?? inter-actions.

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Project description:The title compound, C(26)H(23)BrN(6), has been synthesized as a potential ligand for the construction of metal-organic frameworks. The three benzimidazolyl groups present three potential coordination nodes. The dihedral angles between the benzimidazole ring systems are 74.03?(10), 66.49?(9) and 74.09?(9)°. The structure contains large voids, which contain highly disordered solvent mol-ecules that may be CH(3)CH(2)OH. Since the solvent mol-ecules could not be located, the PLATON/SQUEEZE procedure [Spek (2009 ?). Acta Cryst. D65, 148-155] was used.

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Project description:The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

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